SCHEMBL3216381

SCHEMBL3216381

O=C(CCc1cccnc1)c1ccccc1O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.60
TBXAS1 P24557 9/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
NAPRT Q6XQN6 1/20 0.46
USP2 O75604 1/20 0.46
ESR1 P03372 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
SLC5A1 P13866 1/20 0.45
SLC5A2 P31639 1/20 0.45
NAMPT P43490 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30358375 0.83 CYP19A1 (0.71) CYP19A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1733117 0.83 CYP19A1 (0.71) CYP19A1CYP1A2CYP3A4CYP2C9CYP2C19
Dihydrochalcone SCHEMBL29359372 0.82 CYP19A1 (0.80) CYP19A1KDM4EALDH1A1HPGDNAPRT
Dihydrochalcone SCHEMBL2827303 0.82 CYP19A1 (0.80) CYP19A1KDM4EALDH1A1HPGDNAPRT
Hydrochloric Acid SCHEMBL3785617 0.81 CYP19A1 (0.69) CYP19A1CYP1A2CYP3A4CYP2C9CYP2C19
Dihydrochalcone SCHEMBL7540273 0.80 CYP19A1 (0.77) CYP19A1KDM4EALDH1A1HPGDNAPRT
SCHEMBL9475090 0.80 PLOD2 (0.60) TBXAS1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16310778 0.79 TBXAS1 (0.58) CYP19A1TBXAS1CYP1A2CYP3A4CYP2C9
SCHEMBL27939457 0.77 TBXAS1 (0.64) TBXAS1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4951237 0.77 CYP19A1 (0.61) CYP19A1KDM4EALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8715761-B2 Flavor molecules GIVAUDAN S.A. (CH) 2014-05-06 US disclosed
US-8715761-B2 Flavor molecules GIVAUDAN S.A. (CH) 2014-05-06 US disclosed
US-8715761-B2 Flavor molecules GIVAUDAN S.A. (CH) 2014-05-06 US disclosed
US-20130281387-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-10-24 US disclosed
US-20130281387-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-10-24 US disclosed
US-8449936-B2 Flavor molecules GIVAUDAN SA (CH) 2013-05-28 US disclosed
US-8449936-B2 Flavor molecules GIVAUDAN SA (CH) 2013-05-28 US disclosed
US-8449936-B2 Flavor molecules GIVAUDAN SA (CH) 2013-05-28 US disclosed
WO-2012054528-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed
EP-2259689-B1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2011-11-16 EP disclosed
US-20100272656-A1 Flavor Molecules GIVAUDAN SA (CH) 2010-10-28 US disclosed
US-20100272656-A1 Flavor Molecules GIVAUDAN SA (CH) 2010-10-28 US disclosed
US-20100272656-A1 Flavor Molecules GIVAUDAN SA (CH) 2010-10-28 US disclosed
US-20100040753-A1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2010-02-18 US disclosed
US-20100040753-A1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2010-02-18 US disclosed
US-20100040753-A1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2010-02-18 US disclosed
WO-2009105906-A1 FLAVOR MOLECULES GIVAUDAN SA (CH) 2009-09-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100272656-A1 Flavor Molecules TAS2R30, TAS2R31, TAS2R1 CYP19A1 3585/4885TBXAS1 2799/4885CYP1A2 2674/4885
US-20100040753-A1 FLAVOR MOLECULES TAS2R30, TAS2R31, TAS2R1 CYP19A1 3585/4885TBXAS1 2799/4885CYP1A2 2674/4885
US-20130281387-A1 Chemosensory Receptor Ligand-Based Therapies GPR119, TAS1R2, TAS2R1 CYP19A1 2441/4885TBXAS1 2837/4885CYP1A2 4702/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.